Geometry & MOs

Info

ID:	315376
PubChem CID:	126625759
Reduced:	NOS3H9C14 (2)
Stoich.:	ABC3D9E14 (2)
Weight, g/mol:	501.097951
ΔH_f, kcal/mol:	87.42
Dipole, Da:	1.56
IP(EA), eV:	-8.28(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-5-fluoroanilino)-[(5-phenyl-1H-pyrazol-3-yl)amino]methylidene]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CSC2=C1SC3=C2SC4=C3SC(=C4C)C5=CC=C(S5)C6=C7C(=C(N(C7=O)C)C8=CC=CS8)C(=O)N6C

DOS

IR

Vibrations